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At least 217 records · Page 12

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NASA NTRS2004

Effect of Surface Treatments on Electron Beam Freeform Fabricated Aluminum Structures

Electron beam freeform fabrication (EBF3) parts exhibit a ridged surface finish typical of many layer-additive processes. This, post-processing is required to produce a net shape with a smooth surface finish. High speed milling wire electrical discharge machining (EDM), electron beam glazing, and glass bead blasting were performed on EBF3-build 2219 aluminum alloy parts to reduce or eliminate the ridged surface features. Surface roughness, surface residual stress state, and microstructural characteristics were examined for each of the different surface treatment to assess the quality and effect of the surface treatments on the underlying material. The analysis evaluated the effectivenes of the different surface finishing techniques for achieving a smooth surface finish on an electron beam freeform fabricated part.

Taminger, Karen M. B.↗

NASA NTRS2010

The Herschel-ATLAS: Extragalatic Number Counts from 250 to 500 Microns

Aims.The Herschel-ATLAS survey (H-ATLAS) will be the largest area survey to be undertaken by the Herschel Space Observatory. It will cover 550 sq. deg. of extragalactic sky at wavelengths of 100, 160, 250, 350 and 500 microns when completed, reaching flux limits (50-) from 32 to 145mJy. We here present galaxy number counts obtained for SPIRE observations of the first -14 sq. deg. observed at 250, 350 and 500 m. Methods. Number counts are a fundamental tool in constraining models of galaxy evolution. We use source catalogs extracted from the H-ATLAS maps as the basis for such an analysis. Correction factors for completeness and flux boosting are derived by applying our extraction method to model catalogs and then applied to the raw observational counts. Results. We find a steep rise in the number counts at flux levels of 100-200mJy in all three SPIRE bands, consistent with results from BLAST. The counts are compared to a range of galaxy evolution models. None of the current models is an ideal fit to the data but all ascribe the steep rise to a population of luminous, rapidly evolving dusty galaxies at moderate to high redshift.

Clements, D. L.↗

NASA NTRS2020

Imagery and UV Spectroscopy of the LMC Supernova Remnant N103B Using HST

We present Hubble Space Telescope(HST)/Wide Field Camera 3 multiband imagery of N103B, which is the remnant of a SN Ia in the Large Magellanic Cloud, as well as HST/Cosmic Origins Spectrograph(COS)ultraviolet spectroscopy of the brightest radiatively shocked region. The images show a wide range of morphology and relative emission-line intensities, from smooth Balmer-line dominated collisionless shocks that are due to the primary blast wave to clumpy radiative shock filaments that are due to secondary shocks in density enhancements. The COS data show strong FUV line emissions, despite a moderately high extinction along this line of sight. We use the COS data with previous optical spectra to constrain the shock conditions, we refine the abundance analysis, and we find abundances that are typical of the local interstellar medium within the uncertainties. Under an assumption that the material being shocked was shed from the pre-supernova system, this finding places constraints on any significant enrichment in that material, and thus on the non-degenerate star in what was presumably a single-degenerate SN Ia.

William P. Blair↗

DOE OSTI2015

Characterisation of magnesium potassium phosphate cements blended with fly ash and ground granulated blast furnace slag

Magnesium potassium phosphate cements (MKPCs), blended with 50 wt.% fly ash (FA) or ground granulated blast furnace slag (GBFS) to reduce heat evolution, water demand and cost, were assessed using compressive strength, X-ray diffraction (XRD), scanning electron microscopy (SEM) and nuclear magnetic resonance (NMR) spectroscopy on {sup 25}Mg, {sup 27}Al, {sup 29}Si, {sup 31}P and {sup 39}K nuclei. We present the first definitive evidence that dissolution of the glassy aluminosilicate phases of both FA and GBFS occurred under the pH conditions of MKPC. In addition to the main binder phase, struvite-K, an amorphous orthophosphate phase was detected in FA/MKPC and GBFS/MKPC systems. It was postulated that an aluminium phosphate phase was formed, however, no significant Al–O–P interactions were identified. High-field NMR analysis of the GBFS/MKPC system indicated the potential formation of a potassium-aluminosilicate phase. This study demonstrates the need for further research on these binders, as both FA and GBFS are generally regarded as inert fillers within MKPC.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Molecular Dynamics Simulation on the Effect of MgO/Al{sub 2}O{sub 3} Ratio on Structure and Properties of Blast Furnace Slag Under Different Basicity Conditions

The SiO{sub 2}-Al{sub 2}O{sub 3}-CaO-MgO is the basic structural system of blast furnace slag and the composition directly affects the performance of the slag. Molecular dynamics simulations were carried out to analyze the local structure, structural unit, bond angle, transport properties, and enthalpy of the slag with the increase of MgO/Al{sub 2}O{sub 3} mass ratio under different basicity conditions. It was found that the change of MgO/Al{sub 2}O{sub 3} ratio does not affect the short-range order structure, but it will reduce the overall stability of the network structure. Through the analysis of the structural unit of the slag, it was found that the polymerization degree of the system decreases with the increase of MgO/Al{sub 2}O{sub 3} ratio, indicating that the complex network structure of the system is partially depolymerized. Besides, the self-diffusion coefficients of each ion were concluded and the magnitudes were observed to be in the following order: Mg{sup 2+}>Ca{sup 2+}>Al{sup 3+}>O{sup 2-}>Si{sup 4+}. The diffusivity of the slag increases with the increase of MgO/Al{sub 2}O{sub 3} ratio and the corresponding viscosity decreases. And the enthalpy of the slag is increased with the increase of MgO/Al{sub 2}O{sub 3} ratio or basicity, therefore the fuel consumption should also be properly adjusted during the operation of blast furnace to ensure the target temperature.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Nramp: Deprive and conquer?

Solute carriers 11 (Slc11) evolved from bacterial permease (MntH) to eukaryotic antibacterial defense (Nramp) while continuously mediating proton (H+)-dependent manganese (Mn2+) import. Also, Nramp horizontal gene transfer (HGT) toward bacteria led to mntH polyphyly. Prior demonstration that evolutionary rate-shifts distinguishing Slc11 from outgroup carriers dictate catalytic specificity suggested that resolving Slc11 family tree may provide a function-aware phylogenetic framework. Hence, MntH C (MC) subgroups resulted from HGTs of prototype Nramp (pNs) parologs while archetype Nramp (aNs) correlated with phagocytosis. PHI-Blast based taxonomic profiling confirmed MntH B phylogroup is confined to anaerobic bacteria vs. MntH A (MA)’s broad distribution; suggested niche-related spread of MC subgroups; established that MA-variant MH, which carries ‘eukaryotic signature’ marks, predominates in archaea. Slc11 phylogeny shows MH is sister to Nramp. Site-specific analysis of Slc11 charge network known to interact with the protonmotive force demonstrates sequential rate-shifts that recapitulate Slc11 evolution. 3D mapping of similarly coevolved sites across Slc11 hydrophobic core revealed successive targeting of discrete areas. The data imply that pN HGT could advantage recipient bacteria for H+-dependent Mn2+ acquisition and Alphafold 3D models suggest conformational divergence among MC subgroups. It is proposed that Slc11 originated as a bacterial stress resistance function allowing Mn2+-dependent persistence in conditions adverse for growth, and that archaeal MH could contribute to eukaryogenesis as a Mn2+ sequestering defense perhaps favoring intracellular growth-competent bacteria.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

Effect of blast furnace slag on self-healing of microcracks in cementitious materials

The physico-chemical process of self-healing in blast furnace slag cement paste was investigated in this paper. With a high slag content i.e., 66% in cement paste and saturated Ca(OH)₂ solution as activator, it was found that the reaction products formed in cracks are composed of C-S-H, ettringite, hydrogarnet and OH–hydrotalcite. The fraction of C-S-H in the reaction products is much larger than the other minerals. Large amount of ettringite formed in cracks indicates the leaching of SO₄⁻² ions from the bulk paste and consequently the recrystallization. Self-healing proceeds fast within 50 h and then slows down. According to thermodynamic modeling, when the newly formed reaction products are carbonated, the filling fraction of crack increases first and then decreases. Low soluble minerals such as silica gel, gibbsite and calcite are formed. Compared to Portland cement paste, the potential of self-healing in slag cement paste is higher when the percentage of slag is high. Highlights: • Self-healing reaction products in slag cement paste were characterized. • Self-healing reaction products formed in time were quantified with image analysis. • Self-healing in slag cement paste was simulated with a reactive transport model. • Effect of carbonation on self-healing was investigated by thermodynamic modeling. • Effect of slag on self-healing was discussed based on experiments and simulation.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Supplemental Immobilization of Hanford Low-Activity Waste: Cast Stone Augmented Formulation Matrix Tests

More than 56 million gallons of radioactive and hazardous waste are stored in 177 underground storage tanks at the U.S. Department of Energy’s (DOE’s) Hanford Site in Washington State. The HLW will be vitrified in the HLW facility for ultimate disposal at an offsite federal repository. A portion (~35%) of the LAW will be vitrified in the LAW vitrification facility for disposal onsite at the Integrated Disposal Facility (IDF). The pretreatment and HLW vitrification facilities will have the capacity to treat and immobilize all of the wastes destined for those facilities. However, a second facility will be needed for the expected volume of LAW requiring immobilization. Cast Stone, a cementitious waste form, is being considered to provide the required additional LAW immobilization capacity. The Cast Stone waste form must be acceptable for disposal in the IDF. The Cast Stone waste form and immobilization process must be tested to demonstrate that the final Cast Stone waste form can comply with the waste acceptance criteria for the disposal facility and that the immobilization processes can be controlled to consistently provide an acceptable waste form product. A testing program was developed in fiscal year (FY) 2012 describing in detail the work needed to develop and qualify Cast Stone as a waste form for the solidification of Hanford LAW. A statistically designed test matrix was used to evaluate the effects of key parameters on the properties of the Cast Stone as it is initially prepared and after curing. For the processing properties, the water-to-dry-blend mix ratio was the most significant parameter in affecting the range of values observed for each property. The single shell tank (SST) Blend simulant also showed differences in measured properties compared to the other three simulants tested. A review of the testing matrix and results indicated that an additional set of tests would be beneficial to improve the understanding of the impacts noted in the Screening Matrix tests. A set of Cast Stone formulations were devised to augment the original screening test matrix and focus on the range of the test conditions. Fly ash and blast furnace slag were limited to either northwest or southeast and the salt solutions were narrowed to the Average and the SST Blend at the 7.8M Na concentration. To fill in the matrix, a mix ratio of 0.5 was added. In addition, two admixtures, Xypex Admix C-500 and Rheomac SF100 (silica fume), were added as an additional dry material binder in select compositions. As in the Screening Matrix, both fresh and cured properties were evaluated for the formulations. In this study, properties that were influenced by the W/DM ratio in the Screening Matrix; flow diameter, plastic viscosity, density, and compressive strength, showed consistent behavior with respect to W/DM. The leach index for highly soluble components, sodium and nitrate, were not influenced by changes in formulation or the admixtures. The leach index for both iodine and Tc-99 show an influence from the addition of the admixture, Xypex Admix C-500. Additional testing should be performed to further evaluate the influence of Xypex Admix C-500 on the leach index over a range of admixture concentrations, Cast Stone formulations, and curing and storage conditions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1994

The Balmer-dominated northeast limb of the Cygnus loop supernova remnant

We present a comprehensive investigation of the Balmar-dominated northeast limb of the Cygnus Loop supernova remnant. Data presented include H alpha (O III), and X-ray images, UV and visible spectrophotometry, and high-resolution spectroscophy. The two relatively bright Balmer-dominated filaments visible on the POSS prints are seen to be part of a very smooth and regular complex of filaments. These filaments mark the current location of the blast wave and are seen to bound the sharply limb-brightened X-ray emission, including the previously reported X-ray, 'halo.' The (O III)/h beta ratio throughout the region is approximately 0.1, except for regions in which the shock is undergoing a transition from nonradiative to incomplete radiative to incomplete radiative conditions. At these locations (O III) emission from the cooling region is quite strong, while collisionally excited Balmer-line emission can be weak because of photoionization of the preshock medium by UV from the nascent cooling region. As a result (O III)/H beta is greater than 100 in some locations. The nonradiative/radiative transition is best studied along the length of the northwestern of the two brightest filaments, where the shock velocity and swept-up column go from approximately 180 km/s and 10(exp 17)/sq cm at one end to approximately 140 km/s and 8 x 10(exp 17)/cm at the other. There are also a number of locations of such incomplete radiative emission where the shock has recently encountered denser regions with characteristic sizes of approximately 10(exp 18) cm. There is a considerable amount of evidence that the shock has decelerated from approximately 400 km/s to less than 200 km/s in the last 1000 yr. We interpret this as the result of the blast wave hitting the wall of a cavity which surround the supernova precursor and succeed in matching a wide range of data with a reflected shock model in which the density ofthe cavity wall is approximately 1.2/cu cm and the density in the interior of the cavity is about 0.09/cu cm. This analysis supports previous suggestions that the Cygnus Loop was a cavity explosion. We opredict that the X-ray shell will continue to brighten for the next 1000 years or so, during which time the shock front will become radiative throughout the northeast region. The similarity of the time scales for post-shock cooling, shock deceleration, and the 1ressure evolution of the region violates assumptions of steady flow, and greatly complicated interpretation of shock specptra in the region. This may be a common and important effect in many supernova remnants. High-resolutoin spectroscopy of the H alpha line profile shows that the broad component is surprisingly narrow (approximately 130 km/s). Consistency between this line width and the shock velocity inferred from spectrophotometry requires either rapid postshock equilibration of T(sub i) and T(sub e), or that the shock front has declerated from 180 km/s to 150 km/s in the last approximately 200 yr. While we cannot unambiguously distinquish between these models, the required deceleration is consistent with extrapolation of the shock decleration rate inferred over the last 1000 years. The width of the narrow component of the h alpha line profile is approximately 3 km/s, which indicates that the preshock medium has been heated to approximately 25,000 K by a shock precursor. The most promising types of precursor are heating either by fast neutrals which overtake the shock or by cosmic rays. In the latter case the observed properties of the precursor constrain the cosmic-ray diffusion coefficient to be between about 10(exp 23) sq cm/s. The characteristics of the precursor seem to be about right to explain the presence of weak (S II) and (N II) emission previously reported by Fesen & Itoh (1985).

Hester, J. Jeff↗

DOE OSTI2011

Focal adhesion protein abnormalities in myelodysplastic mesenchymal stromal cells

Direct cell-cell contact between haematopoietic progenitor cells (HPCs) and their cellular microenvironment is essential to maintain 'stemness'. In cancer biology, focal adhesion (FA) proteins are involved in survival signal transduction in a wide variety of human tumours. To define the role of FA proteins in the haematopoietic microenvironment of myelodysplastic syndromes (MDS), CD73-positive mesenchymal stromal cells (MSCs) were immunostained for paxillin, pFAK [Y{sup 397}], and HSP90{alpha}/{beta} and p130CAS, and analysed for reactivity, intensity and cellular localisation. Immunofluorescence microscopy allowed us to identify qualitative and quantitative differences, and subcellular localisation analysis revealed that in pathological MSCs, paxillin, pFAK [Y{sup 397}], and HSP90{alpha}/{beta} formed nuclear molecular complexes. Increased expression of paxillin, pFAK [Y{sup 397}], and HSP90{alpha}/{beta} and enhanced nuclear co-localisation of these proteins correlated with a consistent proliferative advantage in MSCs from patients with refractory anaemia with excess blasts (RAEB) and negatively impacted clonogenicity of HPCs. These results suggest that signalling via FA proteins could be implicated in HPC-MSC interactions. Further, because FAK is an HSP90{alpha}/{beta} client protein, these results suggest the utility of HSP90{alpha}/{beta} inhibition as a target for adjuvant therapy for myelodysplasia.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1998

High Pressure Water Stripping Using Multi-Orifice Nozzles

The use of multi-orifice rotary nozzles not only increases the speed and stripping effectiveness of high pressure water blasting systems, but also greatly increases the complexity of selecting and optimizing the operating parameters. The rotational speed of the nozzle must be coupled with the transverse velocity of the nozzle as it passes across the surface of the substrate being stripped. The radial and angular positions of each orifice must be included in the analysis of the nozzle configuration. Since orifices at the outer edge of the nozzle head move at a faster rate than the orifice located near the center, the energy impact force of the water stream from the outer orifice is spread over a larger area than the water streams from the inner orifice. Utilizing a larger diameter orifice in the outer radial positions increases the energy impact to compensate for its wider force distribution. The total flow rate from the combination of orifices must be monitored and kept below the pump capacity while choosing an orifice to insert in each position. The energy distribution from the orifice pattern is further complicated since the rotary path of all orifices in the nozzle head pass through the center section, contributing to the stripping in this area while only the outer most orifice contributes to the stripping in the shell area at the extreme outside edge of the nozzle. From t he outer most shell to the center section, more orifices contribute to the stripping in each progressively reduced diameter shell. With all these parameters to configure and each parameter change affecting the others, a computer model was developed to track and coordinate these parameters. The computer simulation responds by graphically indicating the cumulative affect from each parameter selected. The results from the proper choices in parameters is a well designed, highly efficient stripping system. A poorly chosen set of parameters will cause the nozzle to strip aggressively in some areas while leaving the coating untouched in adjacent sections. The high pressure water stripping system can be set to extremely aggressive conditions allowing stripping of hard to remove adhesives, paint systems, cladding and chromate conversion coatings. The energy force can be reduced to strip coatings from thin aluminum substrates without causing damage or deterioration to the substrate's surface. High pressure water stripping of aerospace components have thus proven to be an efficient and cost effective method for cleaning and removing coatings.

Hoppe, David T.↗

NASA NTRS1989

Space Propulsion Hazards Analysis Manual (SPHAM), volume 1

The Space Propulsion Hazards Analysis Manual (SPHAM) is a compilation of methods and data directed at hazards analysis and safety for space propulsion and associated vehicles, but broadly applicable to other environments and systems. Methods are described of compiling relevant regulatory documentation, deriving design requirements and specifications, modeling accident scenarios in formal risk assessments, and correlation real-time data to risk probability modeling. Also, SPHAM provides methods for predicting post-accident blast, fragmentation, thermal, and environmental damage. Included in the appendices are an exhaustive bibliography, hazardous properties information on selected space propulsion commodities, and system descriptions of various launch vehicles, upper stages, and spacecrafts.

Becker, Dorothy L.↗

NASA NTRS2014

Multi-Point Combustion System: Final Report

A low-NOx emission combustor concept has been developed for NASA's Environmentally Responsible Aircraft (ERA) program to meet N+2 emissions goals for a 70,000 lb thrust engine application. These goals include 75 percent reduction of LTO NOx from CAEP6 standards without increasing CO, UHC, or smoke from that of current state of the art. An additional key factor in this work is to improve lean combustion stability over that of previous work performed on similar technology in the early 2000s. The purpose of this paper is to present the final report for the NASA contract. This work included the design, analysis, and test of a multi-point combustion system. All design work was based on the results of Computational Fluid Dynamics modeling with the end results tested on a medium pressure combustion rig at the UC and a medium pressure combustion rig at GRC. The theories behind the designs, results of analysis, and experimental test data will be discussed in this report. The combustion system consists of five radially staged rows of injectors, where ten small scale injectors are used in place of a single traditional nozzle. Major accomplishments of the current work include the design of a Multipoint Lean Direct Injection (MLDI) array and associated air blast and pilot fuel injectors, which is expected to meet or exceed the goal of a 75 percent reduction in LTO NOx from CAEP6 standards. This design incorporates a reduced number of injectors over previous multipoint designs, simplified and lightweight components, and a very compact combustor section. Additional outcomes of the program are validation that the design of these combustion systems can be aided by the use of Computational Fluid Dynamics to predict and reduce emissions. Furthermore, the staging of fuel through the individually controlled radially staged injector rows successfully demonstrated improved low power operability as well as improvements in emissions over previous multipoint designs. Additional comparison between Jet- A fuel and a hydrotreated biofuel is made to determine viability of the technology for use with alternative fuels. Finally, the operability of the array and associated nozzles proved to be very stable without requiring additional active or passive control systems. A number of publications have been publish

Goeke, Jerry↗

DOE OSTI2025

Choline Chloride-Based Water-in-Salt Electrolyte for Efficient Iron Electrodeposition

Electrochemical production of iron is a promising low-cost and modular approach to replace the traditional blast furnace. Aqueous electrolytes for iron electrolysis are advantageous as they can be operated at near-ambient temperatures, but they suffer from inefficiencies due to the parasitic hydrogen evolution reaction. In this work, we identify a new water-in-salt electrolyte (WiSE) based on choline chloride (ChCl) for high coulombic efficiency (>85%) iron deposition. Electrochemical analysis of the partial current densities of iron plating and hydrogen co-evolution revealed that, at optimal WiSE compositions, water reduction is kinetically suppressed resulting in an increase in the Fe plating efficiency. Decreased coordination of water and increased coordination of choline’s alcohol group with the Fe 2+ ion were observed through 1 H NMR providing evidence that water reduction is kinetically suppressed in WiSE. Additionally, Raman spectroscopy revealed that complexation effects (with Cl – ) reduce Fe 2+ diffusion coefficients and corresponding limiting currents as the ChCl concentration is increased. This results in an optimal WiSE composition (4 M ChCl + 1 M FeCl 2 ) that provides kinetic suppression of HER but also low transport resistance to Fe plating yielding 85% coulombic efficiency at high current densities.

Sinclair, Nicholas Scott [Case Western Reserve Uni↗

DOE OSTI2022

Strain Gauge Diagnostic Development for use in Vessel Health Monitoring for Hydro-shots

Six-foot vessels are a crucial component to protecting high fidelity equipment at DARHT. Analysis shows these vessels have a limited life span (~10 shots) due to fatigue, ratcheting, and damage accumulation. Vessel health monitoring and diagnostics can help inform decision on a vessel’s fitness for service. Strain gauges are an easy and effective sensor for use in vessel health monitoring. In early March, J-2 executed a qualification shot, uniform blast loading with minimal fragments, with bi-axial strain gauges fielded at four locations around vessel. Several damage features were extracted from the data, and frequency content helps to validate computer modelling of the vessel response. Permanent plastic strain at each location was significant with location one having the most strain at the end state, with 230 micro-strain. However, residual pressure in the vessel could be a major factor in this strain. PEEQ is a measure of total plastic equivalent strain accumulation. The equivalent strain at location one exceeded the plastic strain limit four times and accumulated the most PEEQ with 2036 micro-strain. As expected, this qualification shot did contribute to damage in the vessel, and should be considered in its fitness for service, but not critical enough to pull it from service. Frequency content also gave valuable information on the modal response of the vessel and contributes to the understanding of how the vessel responds to the initial blast load with an expected lower frequency membrane/breathing mode and transitioning to higher frequency bending modes in the vessel wall.

42 ENGINEERING↗

DOE OSTI2011

Fast Identification and Removal of Sequence Contamination from Genomic and Metagenomic Datasets

High-throughput sequencing technologies have strongly impacted microbiology, providing a rapid and cost-effective way of generating draft genomes and exploring microbial diversity. However, sequences obtained from impure nucleic acid preparations may contain DNA from sources other than the sample. Those sequence contaminations are a serious concern to the quality of the data used for downstream analysis, causing misassembly of sequence contigs and erroneous conclusions. Therefore, the removal of sequence contaminants is a necessary and required step for all sequencing projects. We developed DeconSeq, a robust framework for the rapid, automated identification and removal of sequence contamination in longer-read datasets (150 bp mean read length). DeconSeq is publicly available as standalone and web-based versions. The results can be exported for subsequent analysis, and the databases used for the web-based version are automatically updated on a regular basis. DeconSeq categorizes possible contamination sequences, eliminates redundant hits with higher similarity to non-contaminant genomes, and provides graphical visualizations of the alignment results and classifications. Using DeconSeq, we conducted an analysis of possible human DNA contamination in 202 previously published microbial and viral metagenomes and found possible contamination in 145 (72%) metagenomes with as high as 64% contaminating sequences. This new framework allows scientists to automatically detect and efficiently remove unwanted sequence contamination from their datasets while eliminating critical limitations of current methods. DeconSeq’s web interface is simple and user-friendly. The standalone version allows offline analysis and integration into existing data processing pipelines. DeconSeq’s results reveal whether the sequencing experiment has succeeded, whether the correct sample was sequenced, and whether the sample contains any sequence contamination from DNA preparation or host. In addition, the analysis of 202 metagenomes demonstrated significant contamination of the non-human associated metagenomes, suggesting that this method is appropriate for screening all metagenomes. DeconSeq is available at http://deconseq.sourceforge.net/.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2013

PoPLAR: Portal for Petascale Lifescience Applications and Research

Background: We are focusing specifically on fast data analysis and retrieval in bioinformatics that will have a direct impact on the quality of human health and the environment. The exponential growth of data generated in biology research, from small atoms to big ecosystems, necessitates an increasingly large computational component to perform analyses. Novel DNA sequencing technologies and complementary high-throughput approaches–such as proteomics, genomics, metabolomics, and meta-genomics–drive data-intensive bioinformatics. While individual research centers or universities could once provide for these applications, this is no longer the case. Today, only specialized national centers can deliver the level of computing resources required to meet the challenges posed by rapid data growth and the resulting computational demand. Consequently, we are developing massively parallel applications to analyze the growing flood of biological data and contribute to the rapid discovery of novel knowledge. Methods: The efforts of previous National Science Foundation (NSF) projects provided for the generation of parallel modules for widely used bioinformatics applications on the Kraken supercomputer. We have profiled and optimized the code of some of the scientific community’s most widely used desktop and small-cluster-based applications, including BLAST from the National Center for Biotechnology Information (NCBI), HMMER, and MUSCLE; scaled them to tens of thousands of cores on high-performance computing (HPC) architectures; made them robust and portable to next-generation architectures; and incorporated these parallel applications in science gateways with a web-based portal. Results: This paper will discuss the various developmental stages, challenges, and solutions involved in taking bioinformatics applications from the desktop to petascale with a front-end portal for very-large-scale data analysis in the life sciences. Conclusions: This research will help to bridge the gap between the rate of data generation and the speed at which scientists can study this data. The ability to rapidly analyze data at such a large scale is having a significant, direct impact on science achieved by collaborators who are currently using these tools on supercomputers.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Data-Driven Robust RVFLNs Modeling of a Blast Furnace Iron-Making Process Using Cauchy Distribution Weighted M-Estimation

Optimal operation of a practical blast furnace (BF) ironmaking process depends largely on a good measurement of molten iron quality (MIQ) indices. However, measuring the MIQ online is not feasible using the available techniques. In this paper, a novel data-driven robust modeling is proposed for online estimation of MIQ using improved random vector functional-link networks (RVFLNs). Since the output weights of traditional RVFLNs are obtained by the least squares approach, a robustness problem may occur when the training dataset is contaminated with outliers. This affects the modeling accuracy of RVFLNs. To solve this problem, a Cauchy distribution weighted M-estimation based robust RFVLNs is proposed. Since the weights of different outlier data are properly determined by the Cauchy distribution, their corresponding contribution on modeling can be properly distinguished. Thus robust and better modeling results can be achieved. Moreover, given that the BF is a complex nonlinear system with numerous coupling variables, the data-driven canonical correlation analysis is employed to identify the most influential components from multitudinous factors that affect the MIQ indices to reduce the model dimension. Finally, experiments using industrial data and comparative studies have demonstrated that the obtained model produces a better modeling and estimating accuracy and stronger robustness than other modeling methods.

42 ENGINEERING↗